N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine

C18H24N4O2S — CID 23577294

IUPACN-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESO=S(=O)(CCc1ccccc1)N1CCC(CNc2cnccn2)CC1
InChIInChI=1S/C18H24N4O2S/c23-25(24,13-8-16-4-2-1-3-5-16)22-11-6-17(7-12-22)14-21-18-15-19-9-10-20-18/h1-5,9-10,15,17H,6-8,11-14H2,(H,20,21)
InChIKeyYBEHAAJXXATNNM-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.17
Rot. Bonds7

About N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine

N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine (PubChem CID 23577294) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
PubChem CID23577294
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESO=S(=O)(CCc1ccccc1)N1CCC(CNc2cnccn2)CC1
InChIInChI=1S/C18H24N4O2S/c23-25(24,13-8-16-4-2-1-3-5-16)22-11-6-17(7-12-22)14-21-18-15-19-9-10-20-18/h1-5,9-10,15,17H,6-8,11-14H2,(H,20,21)
InChIKeyYBEHAAJXXATNNM-UHFFFAOYSA-N
XLogP2.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 23577246
N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 58933781
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
4-(2-bromoethoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 82689124
[4-(2-phenylethylsulfonyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 110810537
N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine
CID 22135721
N-[[(1S,5R)-8-(2-phenylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyrimidin-2-amine
CID 69414535
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133486651
[1-[2-(4-fluorophenyl)ethylsulfonyl]piperidin-4-yl]methylcarbamic acid
CID 141057193
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
CID 121187620
[4-(2-phenylethylsulfonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110364647

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine (CID 23577294) is N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine is O=S(=O)(CCc1ccccc1)N1CCC(CNc2cnccn2)CC1.
What is the InChIKey of N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The InChIKey is YBEHAAJXXATNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-25(24,13-8-16-4-2-1-3-5-16)22-11-6-17(7-12-22)14-21-18-15-19-9-10-20-18/h1-5,9-10,15,17H,6-8,11-14H2,(H,20,21).
What are the key properties of N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine?
N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine has a molecular weight of 360.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 23577294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).